#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8h s GLU 225 N 0.00 4.76 -0.09 4.33 2.12 -1.26 0.70 118.70 129.27 3h8h s GLU 225 Ca 0.00 1.40 0.03 0.00 0.36 0.00 0.00 54.97 56.76 3h8h s GLU 225 Cb 0.00 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 31.10 3h8h s GLU 225 CO 0.00 0.48 -0.18 0.42 -0.54 0.00 0.00 175.26 175.44 3h8h s ILE 226 N -0.96 1.60 -0.03 -3.70 1.01 0.39 -4.82 121.20 114.70 3h8h s ILE 226 Ca 0.41 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 3h8h s ILE 226 Cb -0.25 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 3h8h s ILE 226 CO 0.30 0.46 0.27 -1.61 0.00 0.00 0.00 174.94 174.36 3h8h s GLU 227 N 0.57 3.63 0.02 2.79 2.02 -1.26 -0.93 118.70 125.53 3h8h s GLU 227 Ca -0.15 0.03 0.01 0.00 0.02 0.00 0.00 54.97 54.87 3h8h s GLU 227 Cb -0.17 -3.14 -0.01 0.00 0.10 0.00 0.00 34.13 30.91 3h8h s GLU 227 CO 0.05 0.69 -0.03 -0.51 0.02 0.00 0.00 175.26 175.48 3h8h s LEU 228 N -1.41 2.16 -0.12 1.80 1.43 0.72 -0.81 118.68 122.45 3h8h s LEU 228 Ca 0.23 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3h8h s LEU 228 Cb -0.14 -0.01 0.01 0.00 0.03 0.00 0.00 46.19 46.09 3h8h s LEU 228 CO 0.12 -0.18 -0.17 0.54 0.23 0.00 0.00 176.35 176.90 3h8h s VAL 229 N -0.97 1.66 -0.12 -1.59 0.11 0.23 -1.32 120.40 118.40 3h8h s VAL 229 Ca -0.09 -0.74 -0.03 0.00 -2.93 0.00 0.00 61.98 58.19 3h8h s VAL 229 Cb -0.07 -1.50 -0.03 0.00 -1.53 0.00 0.00 36.38 33.25 3h8h s VAL 229 CO -0.00 0.47 -0.03 -0.36 -3.33 0.00 0.00 175.10 171.85 3h8h s PHE 230 N 0.95 3.05 0.02 1.54 0.08 0.73 -0.99 117.98 123.36 3h8h s PHE 230 Ca -0.06 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 56.89 3h8h s PHE 230 Cb -0.15 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.41 3h8h s PHE 230 CO -0.02 0.16 -0.03 1.03 -0.10 0.00 0.00 175.22 176.26 3h8h s ARG 231 N -0.16 0.29 0.32 0.44 0.52 -0.51 -1.15 118.95 118.70 3h8h s ARG 231 Ca 0.03 -0.51 -0.29 0.00 -0.52 0.00 0.00 55.73 54.44 3h8h s ARG 231 Cb -0.13 0.02 -0.11 0.00 0.52 0.00 0.00 34.95 35.25 3h8h s ARG 231 CO 0.02 -0.02 1.58 -1.25 0.02 0.00 0.00 175.30 175.65 3h8h s PRO 232 N -1.17 4.11 0.04 3.54 0.04 -1.26 -1.80 135.00 138.50 3h8h s PRO 232 Ca -0.12 2.60 -0.36 0.00 0.04 0.00 0.00 61.00 63.16 3h8h s PRO 232 Cb -0.08 -3.00 -0.15 0.00 0.04 0.00 0.00 34.50 31.31 3h8h s PRO 232 CO -0.01 -0.62 1.55 1.58 0.04 0.00 0.00 177.00 179.54 3h8h n HIS 233 N 1.70 1.97 0.28 0.56 -0.00 0.38 -4.72 115.22 115.40 3h8h n HIS 233 Ca 0.06 0.40 0.17 0.00 0.46 0.00 0.00 57.72 58.82 3h8h n HIS 233 Cb 0.38 -2.47 0.81 0.00 -0.12 0.00 0.00 29.99 28.59 3h8h n HIS 233 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3h8h h PRO 234 N 6.00 0.00 0.00 1.57 0.13 -1.90 -2.08 132.00 135.72 3h8h h PRO 234 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 3h8h h PRO 234 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 3h8h h PRO 234 CO 0.86 0.05 -1.39 0.25 -0.23 0.00 0.00 178.00 177.55 3h8h n THR 235 N -3.27 0.18 0.15 1.56 -2.24 -1.26 -4.67 114.28 104.74 3h8h n THR 235 Ca -0.01 -0.21 0.10 0.00 -2.27 0.00 0.00 64.05 61.66 3h8h n THR 235 Cb 0.24 -0.12 0.06 0.00 -2.10 0.00 0.00 70.33 68.41 3h8h n THR 235 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3h8h h LEU 236 N 0.00 0.00 -9.49 3.22 3.38 -1.94 -3.44 115.31 107.03 3h8h h LEU 236 Ca -0.07 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.23 3h8h h LEU 236 Cb 0.76 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 3h8h h LEU 236 CO 0.00 0.06 -0.56 -0.04 0.09 0.00 0.00 178.44 178.00 3h8h s MET 237 N -3.26 3.16 0.03 1.13 -1.94 -0.78 -5.00 119.30 112.63 3h8h s MET 237 Ca 0.02 -0.35 -0.30 0.00 -1.71 0.00 0.00 55.69 53.35 3h8h s MET 237 Cb 0.08 -2.94 -0.07 0.00 2.01 0.00 0.00 34.83 33.91 3h8h s MET 237 CO 0.74 0.71 1.58 -1.83 -0.01 0.00 0.00 175.02 176.22 3h8h s GLU 238 N -1.22 4.22 -0.91 2.03 1.03 -1.26 -4.80 118.70 117.79 3h8h s GLU 238 Ca 0.17 2.20 -0.21 0.00 0.03 0.00 0.00 54.97 57.17 3h8h s GLU 238 Cb -0.12 -3.67 -0.24 0.00 -0.80 0.00 0.00 34.13 29.30 3h8h s GLU 238 CO 0.07 -0.71 2.40 1.63 -1.33 0.00 0.00 175.26 177.31 3h8h n LYS 239 N 5.84 0.21 -0.08 -4.83 5.02 -1.26 -5.14 118.16 117.92 3h8h n LYS 239 Ca 0.15 -0.14 -0.16 0.00 -2.02 0.00 0.00 58.31 56.15 3h8h n LYS 239 Cb 0.42 -1.87 -0.05 0.00 -0.02 0.00 0.00 35.03 33.50 3h8h n LYS 239 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h8h n ALA 243 N 10.39 1.80 -2.09 7.82 0.00 -1.26 -5.25 120.51 131.91 3h8h n ALA 243 Ca 0.60 -0.66 -0.31 0.00 0.00 0.00 0.00 53.44 53.08 3h8h n ALA 243 Cb 0.20 0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 3h8h n ALA 243 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3h8h s GLN 244 N -2.39 3.80 -0.18 0.00 -0.21 -1.26 -5.05 119.66 114.37 3h8h s GLN 244 Ca -0.23 0.59 -0.07 0.00 0.02 0.00 0.00 55.36 55.66 3h8h s GLN 244 Cb 0.08 -2.32 -0.04 0.00 1.00 0.00 0.00 33.01 31.73 3h8h s GLN 244 CO 0.30 -0.12 0.06 0.99 -2.12 0.00 0.00 175.29 174.40 3h8h s THR 245 N -2.47 4.73 -0.15 -0.19 2.01 -1.26 -4.53 115.64 113.77 3h8h s THR 245 Ca 0.53 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.48 3h8h s THR 245 Cb -0.10 -3.13 -0.00 0.00 0.01 0.00 0.00 72.50 69.28 3h8h s THR 245 CO 0.33 0.47 -0.16 -0.13 -0.69 0.00 0.00 174.62 174.44 3h8h s ARG 246 N 0.33 3.20 -0.24 4.92 0.52 -0.30 -4.95 118.95 122.43 3h8h s ARG 246 Ca 0.03 -0.76 -0.07 0.00 -0.52 0.00 0.00 55.73 54.41 3h8h s ARG 246 Cb -0.12 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 3h8h s ARG 246 CO 0.00 0.01 0.06 0.71 0.02 0.00 0.00 175.30 176.10 3h8h s TYR 247 N 0.82 3.08 -0.01 -0.53 2.02 -1.26 -0.19 117.35 121.28 3h8h s TYR 247 Ca -0.05 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 3h8h s TYR 247 Cb -0.15 -2.20 -0.01 0.00 -0.40 0.00 0.00 41.96 39.19 3h8h s TYR 247 CO -0.00 -0.32 -0.12 0.42 -1.57 0.00 0.00 175.55 173.95 3h8h s ILE 248 N 1.46 0.96 -0.09 2.71 1.01 -0.43 -5.01 121.20 121.82 3h8h s ILE 248 Ca 0.06 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.23 3h8h s ILE 248 Cb -0.15 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 3h8h s ILE 248 CO 0.03 0.27 -0.19 -1.59 0.00 0.00 0.00 174.94 173.46 3h8h s LYS 249 N -0.22 2.89 0.18 2.79 0.00 -1.26 -0.20 119.74 123.92 3h8h s LYS 249 Ca 0.04 -0.80 -0.03 0.00 0.00 0.00 0.00 55.97 55.18 3h8h s LYS 249 Cb -0.05 -2.37 0.01 0.00 0.00 0.00 0.00 37.83 35.42 3h8h s LYS 249 CO -0.00 0.33 0.28 -2.37 0.00 0.00 0.00 175.35 173.59 3h8h n THR 250 N 3.12 0.00 -3.14 3.79 5.66 -0.11 -4.97 114.28 118.64 3h8h n THR 250 Ca -0.18 -0.78 -0.36 0.00 -3.05 0.00 0.00 64.05 59.68 3h8h n THR 250 Cb 0.52 0.53 -0.06 0.00 -1.55 0.00 0.00 70.33 69.77 3h8h n THR 250 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3h8h s SER 251 N -2.06 7.02 0.09 1.09 0.15 -1.26 -0.46 113.70 118.26 3h8h s SER 251 Ca 0.13 1.37 0.13 0.00 0.70 0.00 0.00 55.95 58.27 3h8h s SER 251 Cb -0.01 -2.40 0.57 0.00 -1.71 0.00 0.00 66.02 62.47 3h8h s SER 251 CO 0.09 0.04 1.39 0.61 1.20 0.00 0.00 173.24 176.57 3h8h n GLY 252 N 0.72 -0.88 0.17 9.45 0.00 0.22 -1.93 105.19 112.94 3h8h n GLY 252 Ca -0.03 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3h8h n GLY 252 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h8h h ASN 253 N 0.00 0.00 -3.98 1.61 4.21 -1.92 -1.19 115.58 114.31 3h8h h ASN 253 Ca 0.00 -0.02 -0.54 0.00 1.21 0.00 0.00 56.30 56.95 3h8h h ASN 253 Cb 0.16 0.00 0.12 0.00 -1.12 0.00 0.00 38.32 37.48 3h8h h ASN 253 CO 0.00 0.01 0.73 0.00 -1.29 0.00 0.00 177.43 176.88 3h8h n ALA 254 N -2.05 2.16 -2.31 -0.83 0.00 -0.81 -4.74 120.51 111.93 3h8h n ALA 254 Ca 0.03 0.27 -0.26 0.00 0.00 0.00 0.00 53.44 53.48 3h8h n ALA 254 Cb 0.51 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3h8h n ALA 254 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h8h s THR 255 N -1.18 4.64 0.24 0.00 -4.23 -1.26 -0.37 115.64 113.49 3h8h s THR 255 Ca 0.60 -0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 61.03 3h8h s THR 255 Cb -0.45 -3.76 0.22 0.00 1.34 0.00 0.00 72.50 69.86 3h8h s THR 255 CO 0.59 -0.68 1.86 0.58 -0.54 0.00 0.00 174.62 176.43 3h8h h VAL 256 N 0.27 1.08 -0.29 2.29 2.07 -1.13 -1.88 116.25 118.65 3h8h h VAL 256 Ca -0.47 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3h8h h VAL 256 Cb 1.22 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3h8h h VAL 256 CO 0.61 0.19 0.18 -0.78 0.02 0.00 0.00 177.57 177.79 3h8h h ASP 257 N 1.04 0.34 -0.67 0.57 3.58 -1.00 -0.43 116.42 119.85 3h8h h ASP 257 Ca 0.38 -0.03 0.11 0.00 0.42 0.00 0.00 57.03 57.91 3h8h h ASP 257 Cb 0.12 -0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.01 3h8h h ASP 257 CO -0.16 0.28 0.25 0.45 -2.88 0.00 0.00 179.24 177.18 3h8h h HIS 258 N 0.38 0.43 -0.84 0.28 3.86 -1.76 -0.73 115.15 116.78 3h8h h HIS 258 Ca 0.11 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3h8h h HIS 258 Cb -0.01 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 3h8h h HIS 258 CO -0.05 0.08 0.54 1.25 0.86 0.00 0.00 177.93 180.61 3h8h h LEU 259 N 0.42 0.98 -0.86 2.43 5.85 -0.98 0.03 115.31 123.18 3h8h h LEU 259 Ca 0.35 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.91 3h8h h LEU 259 Cb 0.48 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3h8h h LEU 259 CO -0.35 0.73 -0.57 0.77 -0.34 0.00 0.00 178.44 178.67 3h8h h SER 260 N 1.14 0.01 -0.25 1.25 4.64 -0.18 -0.89 113.55 119.27 3h8h h SER 260 Ca 0.30 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.44 3h8h h SER 260 Cb -0.10 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3h8h h SER 260 CO -0.06 0.58 -0.54 0.11 -0.87 0.00 0.00 176.83 176.05 3h8h h LYS 261 N 0.01 0.80 -0.30 4.77 1.57 -0.75 -1.29 116.57 121.37 3h8h h LYS 261 Ca -0.01 -0.53 0.06 0.00 -1.87 0.00 0.00 60.65 58.30 3h8h h LYS 261 Cb 1.01 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.34 3h8h h LYS 261 CO 0.07 1.16 -0.03 -0.92 -0.57 0.00 0.00 179.45 179.16 3h8h h TYR 262 N 0.55 -0.07 -0.78 -1.35 3.20 -0.88 -2.13 116.97 115.50 3h8h h TYR 262 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3h8h h TYR 262 Cb 1.15 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 3h8h h TYR 262 CO 0.08 -0.08 0.43 1.25 -1.64 0.00 0.00 178.16 178.20 3h8h h LEU 263 N 0.05 0.97 -0.91 2.82 5.85 -1.09 0.73 115.31 123.74 3h8h h LEU 263 Ca 0.15 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3h8h h LEU 263 Cb 0.21 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3h8h h LEU 263 CO -0.27 0.79 0.60 0.00 -0.34 0.00 0.00 178.44 179.22 3h8h h ALA 264 N 1.23 1.17 -0.30 1.25 0.00 -0.92 0.10 119.26 121.79 3h8h h ALA 264 Ca 0.28 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3h8h h ALA 264 Cb 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3h8h h ALA 264 CO -0.04 0.52 0.04 0.28 0.00 0.00 0.00 179.25 180.05 3h8h h VAL 265 N 1.21 1.24 -0.16 0.00 2.07 -0.92 -1.88 116.25 117.81 3h8h h VAL 265 Ca 0.34 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3h8h h VAL 265 Cb -0.10 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3h8h h VAL 265 CO -0.09 0.27 0.10 0.03 0.02 0.00 0.00 177.57 177.90 3h8h h ARG 266 N 0.31 0.22 -0.18 1.57 3.08 -0.32 -3.06 114.38 116.00 3h8h h ARG 266 Ca 0.09 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 3h8h h ARG 266 Cb 0.35 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3h8h h ARG 266 CO 0.01 0.20 -0.45 -0.07 -1.07 0.00 0.00 179.97 178.59 3h8h h LEU 267 N 0.19 0.48 -1.07 3.04 3.38 -0.79 0.03 115.31 120.56 3h8h h LEU 267 Ca 0.06 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.91 3h8h h LEU 267 Cb 0.03 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3h8h h LEU 267 CO -0.01 0.86 0.62 0.00 0.09 0.00 0.00 178.44 180.01 3h8h h ALA 268 N 1.16 1.53 0.10 1.53 0.00 -1.24 0.06 119.26 122.40 3h8h h ALA 268 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 3h8h h ALA 268 Cb 0.93 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3h8h h ALA 268 CO 0.08 0.27 -1.48 1.25 0.00 0.00 0.00 179.25 179.36 3h8h h LEU 269 N 1.01 0.34 0.00 0.00 6.46 -1.35 -3.11 115.31 118.66 3h8h h LEU 269 Ca 0.46 -0.83 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 3h8h h LEU 269 Cb 0.39 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 3h8h h LEU 269 CO -0.22 1.64 -0.05 -0.33 -0.62 0.00 0.00 178.44 178.87 3h8h h GLU 270 N -0.33 0.00 -0.16 1.25 5.08 -0.94 -2.59 114.58 116.90 3h8h h GLU 270 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3h8h h GLU 270 Cb 1.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 3h8h h GLU 270 CO 0.03 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.43 3h8h n GLU 271 N -2.66 2.62 -1.07 2.33 1.02 0.00 -5.03 120.64 117.84 3h8h n GLU 271 Ca 0.05 -2.16 -0.17 0.00 -0.02 0.00 0.00 57.16 54.85 3h8h n GLU 271 Cb 0.48 -1.36 0.12 0.00 -0.02 0.00 0.00 31.44 30.66 3h8h n GLU 271 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3h8h n LEU 272 N -0.37 0.00 -4.84 -4.62 7.94 -0.98 -5.00 117.00 109.12 3h8h n LEU 272 Ca 0.11 -0.83 -0.37 0.00 -1.11 0.00 0.00 56.01 53.81 3h8h n LEU 272 Cb 0.52 -0.59 -0.06 0.00 0.53 0.00 0.00 43.42 43.82 3h8h n LEU 272 CO 0.06 -1.08 0.16 0.42 -1.11 0.00 0.00 177.39 175.84 3h8h s THR 285 N -2.65 4.95 0.31 1.96 -4.23 -1.26 -5.11 115.64 109.61 3h8h s THR 285 Ca 0.43 0.81 0.32 0.00 -1.18 0.00 0.00 61.69 62.07 3h8h s THR 285 Cb -0.01 -3.73 0.34 0.00 1.34 0.00 0.00 72.50 70.44 3h8h s THR 285 CO 0.31 0.42 2.05 0.00 -0.54 0.00 0.00 174.62 176.86 3h8h h ALA 286 N 4.15 1.09 0.00 3.99 0.00 -1.97 -2.46 119.26 124.06 3h8h h ALA 286 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3h8h h ALA 286 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h8h h ALA 286 CO 0.64 0.10 0.00 0.43 0.00 0.00 0.00 179.25 180.42 3h8h n SER 287 N -3.32 0.49 0.08 0.00 7.64 -1.26 -1.67 113.62 115.58 3h8h n SER 287 Ca -0.01 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.61 3h8h n SER 287 Cb 0.26 -0.72 0.09 0.00 -1.01 0.00 0.00 64.21 62.83 3h8h n SER 287 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3h8h h GLU 288 N 0.00 0.00 -6.77 1.43 3.07 -1.76 -3.39 114.58 107.16 3h8h h GLU 288 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 3h8h h GLU 288 Cb 0.33 0.00 0.12 0.00 -0.84 0.00 0.00 28.75 28.36 3h8h h GLU 288 CO 0.00 0.00 0.45 1.17 -1.40 0.00 0.00 179.01 179.23 3h8h n LYS 289 N -2.37 1.91 -3.83 2.33 4.81 -0.67 -4.98 118.16 115.36 3h8h n LYS 289 Ca 0.02 0.68 -0.36 0.00 -0.87 0.00 0.00 58.31 57.77 3h8h n LYS 289 Cb 0.49 -2.31 -0.06 0.00 0.02 0.00 0.00 35.03 33.17 3h8h n LYS 289 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3h8h s GLN 290 N -2.06 3.51 0.06 1.64 -0.21 -1.26 -4.72 119.66 116.62 3h8h s GLN 290 Ca 0.59 -0.10 0.08 0.00 0.02 0.00 0.00 55.36 55.96 3h8h s GLN 290 Cb -0.54 -3.16 -0.03 0.00 1.00 0.00 0.00 33.01 30.28 3h8h s GLN 290 CO 0.59 0.73 -0.23 0.71 -2.12 0.00 0.00 175.29 174.98 3h8h s TYR 291 N -1.12 2.02 -0.09 0.91 2.02 -1.26 -5.02 117.35 114.80 3h8h s TYR 291 Ca 0.20 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.41 3h8h s TYR 291 Cb -0.13 -1.19 -0.05 0.00 -0.40 0.00 0.00 41.96 40.20 3h8h s TYR 291 CO 0.09 0.14 0.23 0.99 -1.57 0.00 0.00 175.55 175.43 3h8h s THR 292 N -0.86 5.35 -0.14 -0.71 2.01 0.14 -4.83 115.64 116.60 3h8h s THR 292 Ca 0.09 0.41 -0.03 0.00 0.31 0.00 0.00 61.69 62.47 3h8h s THR 292 Cb -0.09 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 3h8h s THR 292 CO 0.02 0.58 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.89 3h8h s ILE 293 N -0.88 4.11 0.15 1.82 1.01 -1.26 -2.05 121.20 124.11 3h8h s ILE 293 Ca 0.17 -0.29 0.11 0.00 0.00 0.00 0.00 60.65 60.64 3h8h s ILE 293 Cb -0.13 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 3h8h s ILE 293 CO 0.06 0.52 -0.25 -0.31 0.00 0.00 0.00 174.94 174.97 3h8h s TYR 294 N -0.03 2.32 -0.06 3.97 2.02 0.11 -0.60 117.35 125.08 3h8h s TYR 294 Ca 0.02 -0.36 0.05 0.00 -0.37 0.00 0.00 57.07 56.41 3h8h s TYR 294 Cb -0.13 -1.22 -0.02 0.00 -0.40 0.00 0.00 41.96 40.20 3h8h s TYR 294 CO 0.02 0.40 -0.20 -1.50 -1.57 0.00 0.00 175.55 172.71 3h8h s ILE 295 N -1.29 2.53 0.35 2.71 2.07 0.29 -0.91 121.20 126.95 3h8h s ILE 295 Ca 0.17 -0.90 -0.28 0.00 -1.41 0.00 0.00 60.65 58.22 3h8h s ILE 295 Cb -0.09 -1.96 -0.10 0.00 0.13 0.00 0.00 42.46 40.43 3h8h s ILE 295 CO 0.08 0.57 1.37 0.00 -1.91 0.00 0.00 174.94 175.05 3h8h s ALA 296 N -0.35 3.50 0.23 1.50 0.00 -0.92 -0.99 121.76 124.73 3h8h s ALA 296 Ca 0.03 1.37 0.07 0.00 0.00 0.00 0.00 51.96 53.42 3h8h s ALA 296 Cb -0.12 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3h8h s ALA 296 CO 0.02 -0.81 0.14 0.95 0.00 0.00 0.00 175.76 176.07 3h8h s THR 297 N -1.14 4.28 0.45 0.00 -4.23 0.41 -4.89 115.64 110.52 3h8h s THR 297 Ca 0.51 -1.39 0.13 0.00 -1.18 0.00 0.00 61.69 59.76 3h8h s THR 297 Cb -0.42 -3.27 0.30 0.00 1.34 0.00 0.00 72.50 70.45 3h8h s THR 297 CO 0.56 -0.28 2.04 0.00 -0.54 0.00 0.00 174.62 176.40 3h8h h ALA 298 N 1.84 1.96 0.00 3.99 0.00 -1.95 -1.67 119.26 123.43 3h8h h ALA 298 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3h8h h ALA 298 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3h8h h ALA 298 CO 0.61 -0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.70 3h8h n SER 299 N -4.48 0.00 0.00 0.00 3.41 -1.26 -4.90 113.62 106.40 3h8h n SER 299 Ca 0.05 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3h8h n SER 299 Cb 0.24 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 3h8h n SER 299 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h8h n GLY 300 N 1.15 0.98 3.19 5.00 0.00 -0.63 -5.11 105.19 109.77 3h8h n GLY 300 Ca 0.13 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3h8h n GLY 300 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h8h n GLN 301 N -2.04 0.77 -3.75 1.61 1.13 -1.25 -4.91 117.38 108.93 3h8h n GLN 301 Ca 0.00 -2.77 -0.25 0.00 -1.94 0.00 0.00 57.00 52.04 3h8h n GLN 301 Cb 0.00 0.14 -0.17 0.00 0.11 0.00 0.00 30.24 30.32 3h8h n GLN 301 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3h8h s PHE 302 N -2.18 0.80 -0.23 1.08 0.08 -1.26 -0.44 117.98 115.83 3h8h s PHE 302 Ca 0.34 -0.45 -0.18 0.00 0.12 0.00 0.00 56.93 56.76 3h8h s PHE 302 Cb -0.03 -0.89 -0.03 0.00 -0.57 0.00 0.00 43.02 41.50 3h8h s PHE 302 CO 0.22 -0.45 0.51 0.99 -0.10 0.00 0.00 175.22 176.39 3h8h s THR 303 N 1.93 5.09 0.19 0.64 2.01 -0.16 -4.85 115.64 120.49 3h8h s THR 303 Ca 0.03 0.90 -0.32 0.00 0.31 0.00 0.00 61.69 62.61 3h8h s THR 303 Cb -0.14 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.43 3h8h s THR 303 CO -0.06 0.13 1.65 -0.69 -0.69 0.00 0.00 174.62 174.96 3h8h s VAL 304 N 2.00 2.30 -0.19 3.82 1.01 -1.26 -0.55 120.40 127.53 3h8h s VAL 304 Ca 0.22 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.25 3h8h s VAL 304 Cb -0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3h8h s VAL 304 CO 0.09 0.02 0.44 -0.76 0.00 0.00 0.00 175.10 174.89 3h8h s LEU 305 N 1.16 4.16 0.18 3.92 1.43 0.23 -4.93 118.68 124.83 3h8h s LEU 305 Ca 0.73 0.60 -0.32 0.00 -1.03 0.00 0.00 54.13 54.10 3h8h s LEU 305 Cb -0.47 -2.59 -0.12 0.00 0.03 0.00 0.00 46.19 43.04 3h8h s LEU 305 CO 0.32 -0.10 1.76 -3.20 0.23 0.00 0.00 176.35 175.35 3h8h n ASN 306 N 4.49 3.99 0.31 2.29 2.85 -1.26 -4.62 115.26 123.31 3h8h n ASN 306 Ca -0.07 1.04 0.18 0.00 -0.11 0.00 0.00 54.58 55.61 3h8h n ASN 306 Cb 0.51 -1.56 0.98 0.00 1.24 0.00 0.00 39.78 40.95 3h8h n ASN 306 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3h8h h GLY 307 N 7.31 0.00 2.00 8.20 0.00 -1.97 -2.14 103.07 116.47 3h8h h GLY 307 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3h8h h GLY 307 CO 0.95 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.97 3h8h h SER 308 N 0.00 0.00 -3.61 0.19 4.64 -1.95 0.14 113.55 112.96 3h8h h SER 308 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3h8h h SER 308 Cb 0.09 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.23 3h8h h SER 308 CO 0.00 0.00 0.63 -0.36 -0.87 0.00 0.00 176.83 176.23 3h8h s PHE 309 N -3.22 3.22 0.72 4.77 0.08 -0.81 -4.80 117.98 117.94 3h8h s PHE 309 Ca 0.08 1.34 -0.12 0.00 0.12 0.00 0.00 56.93 58.34 3h8h s PHE 309 Cb 0.10 -3.60 0.03 0.00 -0.57 0.00 0.00 43.02 38.98 3h8h s PHE 309 CO 0.58 -1.74 1.10 -1.54 -0.10 0.00 0.00 175.22 173.52 3h8h s SER 310 N -0.10 4.79 0.50 1.36 1.04 -1.26 -1.19 113.70 118.83 3h8h s SER 310 Ca 0.53 1.90 0.20 0.00 0.48 0.00 0.00 55.95 59.05 3h8h s SER 310 Cb -0.37 -2.53 1.27 0.00 0.10 0.00 0.00 66.02 64.48 3h8h s SER 310 CO 0.44 -1.84 2.07 -0.07 0.98 0.00 0.00 173.24 174.82 3h8h h LEU 311 N -0.61 0.00 -0.44 2.42 3.38 -0.34 -1.08 115.31 118.64 3h8h h LEU 311 Ca -0.45 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 3h8h h LEU 311 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3h8h h LEU 311 CO 0.53 0.11 -0.01 -0.08 0.09 0.00 0.00 178.44 179.07 3h8h h GLU 312 N 0.00 0.79 -0.33 1.13 4.81 -1.50 -1.24 114.58 118.24 3h8h h GLU 312 Ca -0.00 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 3h8h h GLU 312 Cb 0.22 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3h8h h GLU 312 CO 0.01 0.86 0.11 1.25 -0.73 0.00 0.00 179.01 180.52 3h8h h LEU 313 N 0.63 0.48 -0.46 1.64 5.85 -1.72 -0.76 115.31 120.97 3h8h h LEU 313 Ca 0.12 -0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.74 3h8h h LEU 313 Cb 0.51 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 3h8h h LEU 313 CO 0.03 0.54 -0.18 0.58 -0.34 0.00 0.00 178.44 179.07 3h8h h VAL 314 N 0.39 0.42 -0.62 1.05 2.07 -1.09 0.19 116.25 118.66 3h8h h VAL 314 Ca 0.11 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.64 3h8h h VAL 314 Cb 0.23 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3h8h h VAL 314 CO -0.01 0.00 0.41 -1.28 0.02 0.00 0.00 177.57 176.71 3h8h h SER 315 N -0.08 0.70 -0.48 0.57 0.87 -1.03 0.24 113.55 114.35 3h8h h SER 315 Ca 0.22 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 3h8h h SER 315 Cb 0.42 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 3h8h h SER 315 CO -0.52 0.51 0.14 -0.33 -0.53 0.00 0.00 176.83 176.10 3h8h h GLU 316 N 0.83 0.75 -0.15 2.24 5.08 -0.54 -0.97 114.58 121.82 3h8h h GLU 316 Ca 0.23 -0.17 -0.21 0.00 -1.00 0.00 0.00 59.36 58.21 3h8h h GLU 316 Cb -0.09 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.07 3h8h h GLU 316 CO -0.05 0.71 -0.73 0.87 -1.00 0.00 0.00 179.01 178.81 3h8h h LYS 317 N 0.64 0.76 0.00 2.33 1.57 -0.41 -3.41 116.57 118.04 3h8h h LYS 317 Ca 0.15 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3h8h h LYS 317 Cb 0.29 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3h8h h LYS 317 CO -0.00 1.23 0.00 0.66 -0.57 0.00 0.00 179.45 180.76 3h8h n TYR 318 N -3.99 0.00 -2.82 -1.35 4.01 0.82 -4.97 117.16 108.87 3h8h n TYR 318 Ca -0.08 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.60 3h8h n TYR 318 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.75 3h8h n TYR 318 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 3h8h n TRP 319 N -0.52 -3.56 0.44 -0.72 -0.00 -0.39 -4.99 117.44 107.71 3h8h n TRP 319 Ca 0.00 -1.56 0.12 0.00 -0.00 0.00 0.00 57.50 56.07 3h8h n TRP 319 Cb 0.02 1.38 0.20 0.00 -0.00 0.00 0.00 31.31 32.91 3h8h n TRP 319 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 3h8h h LYS 320 N 5.00 0.00 -7.32 5.87 1.57 -1.79 -3.40 116.57 116.49 3h8h h LYS 320 Ca 0.07 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.34 3h8h h LYS 320 Cb 1.09 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.49 3h8h h LYS 320 CO 0.06 0.00 0.37 0.14 -0.57 0.00 0.00 179.45 179.45 3h8h s VAL 321 N -3.19 4.07 -1.43 0.50 -7.23 -1.26 -4.94 120.40 106.91 3h8h s VAL 321 Ca 0.06 0.71 -0.10 0.00 -1.81 0.00 0.00 61.98 60.83 3h8h s VAL 321 Cb 0.11 -3.44 0.06 0.00 0.56 0.00 0.00 36.38 33.67 3h8h s VAL 321 CO 0.69 -0.84 2.34 -3.20 -0.31 0.00 0.00 175.10 173.77 3h8h n ASN 322 N -2.96 6.00 -3.80 4.85 5.15 -1.26 -4.85 115.26 118.39 3h8h n ASN 322 Ca 0.07 -2.90 -0.12 0.00 -0.60 0.00 0.00 54.58 51.04 3h8h n ASN 322 Cb 0.53 -1.54 -0.09 0.00 -0.53 0.00 0.00 39.78 38.16 3h8h n ASN 322 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3h8h s LYS 323 N 1.53 0.66 0.35 1.20 1.02 -1.26 -5.14 119.74 118.10 3h8h s LYS 323 Ca 0.52 -0.38 -0.28 0.00 0.02 0.00 0.00 55.97 55.84 3h8h s LYS 323 Cb 0.15 0.28 -0.12 0.00 -0.52 0.00 0.00 37.83 37.62 3h8h s LYS 323 CO -0.06 -0.18 1.38 -2.30 -0.92 0.00 0.00 175.35 173.26 3h8h n PRO 324 N 1.07 2.35 -1.80 -1.68 -0.02 -1.26 -4.89 135.00 128.76 3h8h n PRO 324 Ca -0.21 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3h8h n PRO 324 Cb 0.57 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3h8h n PRO 324 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3h8h s MET 325 N -1.85 4.16 -0.69 -0.52 -1.94 0.01 -4.69 119.30 113.78 3h8h s MET 325 Ca 0.55 2.52 -0.19 0.00 -1.71 0.00 0.00 55.69 56.86 3h8h s MET 325 Cb -0.54 -3.10 0.11 0.00 2.01 0.00 0.00 34.83 33.31 3h8h s MET 325 CO 0.62 -0.70 0.84 -1.21 -0.01 0.00 0.00 175.02 174.56 3h8h s GLU 326 N 1.14 3.21 -0.01 2.03 2.02 -1.26 -0.60 118.70 125.22 3h8h s GLU 326 Ca 0.73 -1.40 0.01 0.00 0.02 0.00 0.00 54.97 54.33 3h8h s GLU 326 Cb -0.48 -4.39 -0.04 0.00 0.10 0.00 0.00 34.13 29.33 3h8h s GLU 326 CO 0.32 -1.62 0.02 -0.51 0.02 0.00 0.00 175.26 173.48 3h8h s LEU 327 N 2.76 3.60 0.03 1.80 1.43 -0.16 -2.17 118.68 125.97 3h8h s LEU 327 Ca 0.18 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 3h8h s LEU 327 Cb -0.18 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3h8h s LEU 327 CO 0.03 0.29 -0.10 -0.31 0.23 0.00 0.00 176.35 176.48 3h8h s TYR 328 N -1.08 0.91 0.12 0.29 2.02 -0.09 -1.42 117.35 118.10 3h8h s TYR 328 Ca 0.19 -0.35 0.09 0.00 -0.37 0.00 0.00 57.07 56.63 3h8h s TYR 328 Cb -0.12 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 3h8h s TYR 328 CO 0.10 -0.01 -0.21 1.52 -1.57 0.00 0.00 175.55 175.38 3h8h s TYR 329 N -0.88 1.90 0.00 2.71 -0.85 -0.75 0.08 117.35 119.57 3h8h s TYR 329 Ca -0.02 -0.42 0.00 0.00 -0.52 0.00 0.00 57.07 56.11 3h8h s TYR 329 Cb -0.07 -1.01 0.00 0.00 0.38 0.00 0.00 41.96 41.25 3h8h s TYR 329 CO 0.01 0.27 0.00 0.00 -1.52 0.00 0.00 175.55 174.30